5-nitro-2-(2H-tetrazol-5-yl)aniline

C7H6N6O2 — CID 170915363

IUPAC5-nitro-2-(2H-tetrazol-5-yl)aniline
SMILESNc1cc([N+](=O)[O-])ccc1-c1nn[nH]n1
InChIInChI=1S/C7H6N6O2/c8-6-3-4(13(14)15)1-2-5(6)7-9-11-12-10-7/h1-3H,8H2,(H,9,10,11,12)
InChIKeyGHLXKQUCUXRHKU-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.36
Rot. Bonds2

About 5-nitro-2-(2H-tetrazol-5-yl)aniline

5-nitro-2-(2H-tetrazol-5-yl)aniline (PubChem CID 170915363) has the molecular formula C7H6N6O2 and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-nitro-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name5-nitro-2-(2H-tetrazol-5-yl)aniline
PubChem CID170915363
Molecular FormulaC7H6N6O2
Molecular Weight206.17 g/mol
Exact Mass206.06
IUPAC Name5-nitro-2-(2H-tetrazol-5-yl)aniline
SMILESNc1cc([N+](=O)[O-])ccc1-c1nn[nH]n1
InChIInChI=1S/C7H6N6O2/c8-6-3-4(13(14)15)1-2-5(6)7-9-11-12-10-7/h1-3H,8H2,(H,9,10,11,12)
InChIKeyGHLXKQUCUXRHKU-UHFFFAOYSA-N
XLogP0.36
TPSA123.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63111008
8-nitro-3-(2H-tetrazol-5-yl)pyrimido[2,1-b][1,3]benzothiazol-4-one
CID 13370887
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110849
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
N-(5-methyl-2-pyridinyl)-4-nitro-2-(2H-tetrazol-5-yl)benzamide
CID 170434577
2-methoxy-4-nitro-6-(2H-tetrazol-5-yl)phenol
CID 3485343
2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110870
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-nitroaniline
CID 61279765
2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol
CID 81429462
5-[3-(fluoromethyl)-5-nitrophenyl]-2H-tetrazole
CID 122550337
2-(4-cyclopropyl-1,2,4-triazol-3-yl)-5-nitroaniline
CID 63110904
5-[2-(3,4-dimethoxyphenyl)-3-fluoro-5-nitrophenyl]-2H-tetrazole
CID 138696722

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 5-nitro-2-(2H-tetrazol-5-yl)aniline (CID 170915363) is 5-nitro-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 5-nitro-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 5-nitro-2-(2H-tetrazol-5-yl)aniline is Nc1cc([N+](=O)[O-])ccc1-c1nn[nH]n1.
What is the InChIKey of 5-nitro-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is GHLXKQUCUXRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2/c8-6-3-4(13(14)15)1-2-5(6)7-9-11-12-10-7/h1-3H,8H2,(H,9,10,11,12).
What are the key properties of 5-nitro-2-(2H-tetrazol-5-yl)aniline?
5-nitro-2-(2H-tetrazol-5-yl)aniline has a molecular weight of 206.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 170915363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).